4-methylsulfanyl-2-[[4-[(3-oxidanylpyrrolidin-1-yl)methyl]-2-phenyl-phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[4-[(3-oxidanylpyrrolidin-1-yl)methyl]-2-phenyl-phenyl]carbonylamino]butanoic acid Openeye Name: 2-[[4-[(3-hydroxypyrrolidin-1-yl)methyl]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[(3-hydroxy-1-pyrrolidinyl)methyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(3-hydroxypyrrolidin-1-yl)methyl]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[(3-hydroxypyrrolidino)methyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CN2CCC(C2)O)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CN2CCC(C2)O)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O4S/c1-30-12-10-21(23(28)29)24-22(27)19-8-7-16(14-25-11-9-18(26)15-25)13-20(19)17-5-3-2-4-6-17/h2-8,13,18,21,26H,9-12,14-15H2,1H3,(H,24,27)(H,28,29)